2 monochromatic light source, a lock-in amplifier (SR830-DSP) with a light chopper (SR40), a sample cell, and a computer. A 00-W xenon lamp and a double-prism monochromator provided the monochromatic light. In the photovoltaic cell, the powder sheet was directly sandwiched between two blank indium tin oxide (ITO) electrodes. The field-induced surface photovoltage spectroscopy (FISPS) is a supplement to the SPV spectroscopy method. In FISPS, the external electric fields were applied between the two electrodes. 3. Single-crystal X-ray diffraction Suitable single crystal with dimensions of mm 3 for JU98 was selected for single-crystal X-ray diffraction analysis. The intensity data were collected on a Bruker SMART APEXⅡ CCD diffractometer by 10 oscillation scans using graphite-monochromated MoKα radiation (λ = Å) at temperature of 23±2 C. Cell refinement and data reduction were accomplished with the SAINT processing program. The structure was solved in monoclinic space group P2 1 /c (No.14) by direct methods and refined by full matrix least-squares technique with the SHELXTL crystallographic software package. All framework atoms Zn, P and O could be unambiguously located, and the C and N atoms were subsequently located in the difference Fourier maps. It should be noted that P(), O(21) 1 and O(22) atoms, and one of MV cations were disordered over two positions with the same occupancy. The positions of H atoms were not added in the structure. All non-hydrogen atoms were refined anisotropically. CCDC contains the supplementary crystallographic data for this paper. These data can be obtained free of charge from The Cambridge Crystallographic Data Centre via

3 Figure S1 Experimental and simulated powder XRD patterns of JU98

4 Figure S2 In-situ temperature dependent X-ray diffraction patterns of JU98, showing the structure of JU98 can be stable up to 400 C

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